[3-(carbonofluoridoyloxymethyl)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]phenyl]methyl carbonofluoridate

C20H20F2O7 — CID 142513519

IUPAC[3-(carbonofluoridoyloxymethyl)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]phenyl]methyl carbonofluoridate
SMILESCOCc1cc(COC(=O)F)cc(COC(=O)F)c1OCc1ccc(OC)cc1
InChIInChI=1S/C20H20F2O7/c1-25-11-15-7-14(10-28-19(21)23)8-16(12-29-20(22)24)18(15)27-9-13-3-5-17(26-2)6-4-13/h3-8H,9-12H2,1-2H3
InChIKeyRZGLYNBINZBPOW-UHFFFAOYSA-N
MW410.37 g/mol
LogP4.63
Rot. Bonds10

About [3-(carbonofluoridoyloxymethyl)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]phenyl]methyl carbonofluoridate

[3-(carbonofluoridoyloxymethyl)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]phenyl]methyl carbonofluoridate (PubChem CID 142513519) has the molecular formula C20H20F2O7 and a molecular weight of 410.37 g/mol. Its IUPAC name is [3-(carbonofluoridoyloxymethyl)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]phenyl]methyl carbonofluoridate.

Molecular Properties

Compound Name[3-(carbonofluoridoyloxymethyl)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]phenyl]methyl carbonofluoridate
PubChem CID142513519
Molecular FormulaC20H20F2O7
Molecular Weight410.37 g/mol
Exact Mass410.12
IUPAC Name[3-(carbonofluoridoyloxymethyl)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]phenyl]methyl carbonofluoridate
SMILESCOCc1cc(COC(=O)F)cc(COC(=O)F)c1OCc1ccc(OC)cc1
InChIInChI=1S/C20H20F2O7/c1-25-11-15-7-14(10-28-19(21)23)8-16(12-29-20(22)24)18(15)27-9-13-3-5-17(26-2)6-4-13/h3-8H,9-12H2,1-2H3
InChIKeyRZGLYNBINZBPOW-UHFFFAOYSA-N
XLogP4.63
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze [3-(carbonofluoridoyloxymethyl)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]phenyl]methyl carbonofluoridate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate
CID 19075817
(4-methoxyphenyl)methyl 2,2-difluoro-2-sulfanylacetate
CID 163433987
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
methyl 3-bromo-5-fluoro-4-[(4-methoxyphenyl)methoxy]benzoate
CID 57467636
1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 71248787
(4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate
CID 115430699
2-[3,5-dibromo-4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
CID 10766372
ethyl 3,5-diiodo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 10602479
ethane;(4-ethylphenyl)methyl carbonofluoridate
CID 178047310
(4-methoxyphenyl)methyl 2-bromoacetate
CID 10587465
3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide
CID 126484008

Frequently Asked Questions

What is the IUPAC name of [3-(carbonofluoridoyloxymethyl)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]phenyl]methyl carbonofluoridate?
The IUPAC name of [3-(carbonofluoridoyloxymethyl)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]phenyl]methyl carbonofluoridate (CID 142513519) is [3-(carbonofluoridoyloxymethyl)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]phenyl]methyl carbonofluoridate.
What is the SMILES notation for [3-(carbonofluoridoyloxymethyl)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]phenyl]methyl carbonofluoridate?
The canonical SMILES for [3-(carbonofluoridoyloxymethyl)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]phenyl]methyl carbonofluoridate is COCc1cc(COC(=O)F)cc(COC(=O)F)c1OCc1ccc(OC)cc1.
What is the InChIKey of [3-(carbonofluoridoyloxymethyl)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]phenyl]methyl carbonofluoridate?
The InChIKey is RZGLYNBINZBPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2O7/c1-25-11-15-7-14(10-28-19(21)23)8-16(12-29-20(22)24)18(15)27-9-13-3-5-17(26-2)6-4-13/h3-8H,9-12H2,1-2H3.
What are the key properties of [3-(carbonofluoridoyloxymethyl)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]phenyl]methyl carbonofluoridate?
[3-(carbonofluoridoyloxymethyl)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]phenyl]methyl carbonofluoridate has a molecular weight of 410.37 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(carbonofluoridoyloxymethyl)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]phenyl]methyl carbonofluoridate is sourced from PubChem (CID 142513519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).